7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

InChI

InChI=1S/C18H20N2O6/c1-10-12(11(2)26-20-10)4-5-17(21)19-14-9-16-15(8-13(14)18(22)23)24-6-3-7-25-16/h8-9H,3-7H2,1-2H3,(H,19,21)(H,22,23)